2-N-(3-chlorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine;hydrochloride

C19H16Cl2N4O — CID 2909508

IUPAC2-N-(3-chlorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine;hydrochloride
SMILESCl.Clc1cccc(Nc2nc(NCc3ccco3)c3ccccc3n2)c1
InChIInChI=1S/C19H15ClN4O.ClH/c20-13-5-3-6-14(11-13)22-19-23-17-9-2-1-8-16(17)18(24-19)21-12-15-7-4-10-25-15;/h1-11H,12H2,(H2,21,22,23,24);1H
InChIKeyMARLTNLYWVHUTL-UHFFFAOYSA-N
MW387.27 g/mol
LogP5.65
Rot. Bonds5

About 2-N-(3-chlorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine;hydrochloride

2-N-(3-chlorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine;hydrochloride (PubChem CID 2909508) has the molecular formula C19H16Cl2N4O and a molecular weight of 387.27 g/mol. Its IUPAC name is 2-N-(3-chlorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name2-N-(3-chlorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine;hydrochloride
PubChem CID2909508
Molecular FormulaC19H16Cl2N4O
Molecular Weight387.27 g/mol
Exact Mass386.07
IUPAC Name2-N-(3-chlorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine;hydrochloride
SMILESCl.Clc1cccc(Nc2nc(NCc3ccco3)c3ccccc3n2)c1
InChIInChI=1S/C19H15ClN4O.ClH/c20-13-5-3-6-14(11-13)22-19-23-17-9-2-1-8-16(17)18(24-19)21-12-15-7-4-10-25-15;/h1-11H,12H2,(H2,21,22,23,24);1H
InChIKeyMARLTNLYWVHUTL-UHFFFAOYSA-N
XLogP5.65
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.27
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'melamine_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chlorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine;hydrochloride?
The IUPAC name of 2-N-(3-chlorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine;hydrochloride (CID 2909508) is 2-N-(3-chlorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine;hydrochloride.
What is the SMILES notation for 2-N-(3-chlorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine;hydrochloride?
The canonical SMILES for 2-N-(3-chlorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine;hydrochloride is Cl.Clc1cccc(Nc2nc(NCc3ccco3)c3ccccc3n2)c1.
What is the InChIKey of 2-N-(3-chlorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine;hydrochloride?
The InChIKey is MARLTNLYWVHUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O.ClH/c20-13-5-3-6-14(11-13)22-19-23-17-9-2-1-8-16(17)18(24-19)21-12-15-7-4-10-25-15;/h1-11H,12H2,(H2,21,22,23,24);1H.
What are the key properties of 2-N-(3-chlorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine;hydrochloride?
2-N-(3-chlorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine;hydrochloride has a molecular weight of 387.27 g/mol, XLogP of 5.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chlorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine;hydrochloride is sourced from PubChem (CID 2909508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).